Binding information for 1lhf_ligand_3_59.mol2(FDBF00035)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lhf_ligand_3_59.mol2 | 1lhf | 1 | -6.55 | C(NC(=O)[C@@H]1CCCN1C=O)C | 12 |
Structure and binding mode of 1lhf_ligand_3_59.mol2(FDBF00035)
Important binding residues for 1lhf_ligand_3_59.mol2(FDBF00035)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lhf | HIS57 | -1.87 | 1.00 | -0.87 | -0.81 | -1.68 |
| 1lhf | TYR60A | -0.87 | -0.32 | -1.19 | 0.61 | -0.58 |
| 1lhf | TRP60D | -0.83 | -0.33 | -1.16 | 0.66 | -0.50 |
| 1lhf | SER214 | -0.54 | -4.02 | -4.56 | 3.11 | -1.45 |
| 1lhf | TRP215 | -0.85 | -2.51 | -3.36 | 1.33 | -2.03 |
| 1lhf | GLY216 | -0.05 | -1.06 | -1.11 | 0.10 | -1.00 |
